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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Jul-2019/dispersion/Ru_4/Evac dispersion_Ru-4-VAC-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1429.4173252; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Cu_15/Eooh dispersion_Cu-15-OOH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1504.5492823; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Cu_15/Eoh dispersion_Cu-15-OH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1429.3983425; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Ni_17/Eo dispersion_Ni-17-OCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2380.6143515; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Fe_14/Eooh dispersion_Fe-14-OOH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1192.7671854; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Fe_14/Eo4 dispersion_Fe-14-O4Craig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1116.9763008; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Fe_14/Evac dispersion_Fe-14-VAC-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1041.7721768; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Fe_13/Eoh dispersion_Fe-13-OHCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2495.9055379; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Mn_12/Evac dispersion_Mn-12-VAC-octet-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1919.7067709; Eh
thumbnail.jpeg1-Jul-2019/dispersion/Mn_11/Eoh dispersion_Mn-11-OH-freqCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point StructureUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1302.9062713; Eh
Results 1-10 of 78 (Search time: 0.001 seconds).